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1251200-18-6 | 1-ethyl-2-(4-iodobenzoyl)-1H-imidazole
CAS No: 1251200-18-6 Catalog No: AG01A3Q7 MDL No:MFCD14623416
Product Description
Catalog Number:
AG01A3Q7
Chemical Name:
1-ethyl-2-(4-iodobenzoyl)-1H-imidazole
CAS Number:
1251200-18-6
Molecular Formula:
C12H11IN2O
Molecular Weight:
326.1330
MDL Number:
MFCD14623416
IUPAC Name:
(1-ethylimidazol-2-yl)-(4-iodophenyl)methanone
InChI:
InChI=1S/C12H11IN2O/c1-2-15-8-7-14-12(15)11(16)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3
InChI Key:
XTQNJPMCKSAAAQ-UHFFFAOYSA-N
SMILES:
CCn1ccnc1C(=O)c1ccc(cc1)I
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.137g/mol
Monoisotopic Mass:
325.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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